2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol

C12H17N5OS — CID 143440070

IUPAC2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
SMILESNc1cc(N2CCCC2)nc2c(SCCO)cnn12
InChIInChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2
InChIKeyYMNLTHRMTGTBKA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.00
Rot. Bonds4

About 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol

2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol (PubChem CID 143440070) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
PubChem CID143440070
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol
SMILESNc1cc(N2CCCC2)nc2c(SCCO)cnn12
InChIInChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2
InChIKeyYMNLTHRMTGTBKA-UHFFFAOYSA-N
XLogP1.00
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-pyrrolidin-1-yl-3-N,3-N-bis(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-diamine
CID 143441362
2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
CID 90723376
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
3-bromo-5-(4-phenylmethoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71058470
(6-piperidin-1-ylpyrazin-2-yl)methanol
CID 66468187
1-methyl-3-pyrrolidin-1-ylpyrazol-5-amine
CID 83864178
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
CID 90693094
(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
CID 58336174
7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 86043465
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The IUPAC name of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol (CID 143440070) is 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol.
What is the SMILES notation for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The canonical SMILES for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol is Nc1cc(N2CCCC2)nc2c(SCCO)cnn12.
What is the InChIKey of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
The InChIKey is YMNLTHRMTGTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-10-7-11(16-3-1-2-4-16)15-12-9(19-6-5-18)8-14-17(10)12/h7-8,18H,1-6,13H2.
What are the key properties of 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol?
2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol has a molecular weight of 279.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)sulfanylethanol is sourced from PubChem (CID 143440070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).